PubChemLite - 497230-19-0 (C23H24Cl2N2O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)Cl)Cl)O)OC

InChI

InChI=1S/C23H24Cl2N2O4/c1-13-11-15(6-8-18(13)31-4)21(28)19-20(14-5-7-16(24)17(25)12-14)27(10-9-26(2)3)23(30)22(19)29/h5-8,11-12,20,28H,9-10H2,1-4H3

InChIKey

ARADTNRBVCBHGL-UHFFFAOYSA-N

Compound name

5-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	463.11858	208.3
[M+Na]+	485.10052	217.2
[M-H]-	461.10402	216.9
[M+NH4]+	480.14512	219.0
[M+K]+	501.07446	210.7
[M+H-H2O]+	445.10856	200.8
[M+HCOO]-	507.10950	218.3
[M+CH3COO]-	521.12515	237.1
[M+Na-2H]-	483.08597	201.4
[M]+	462.11075	214.9
[M]-	462.11185	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.11858

208.3

[M+Na]+

485.10052

217.2

[M-H]-

461.10402

216.9

[M+NH4]+

480.14512

219.0

[M+K]+

501.07446

210.7

[M+H-H2O]+

445.10856

200.8

[M+HCOO]-

507.10950

218.3

[M+CH3COO]-

521.12515

237.1

[M+Na-2H]-

483.08597

201.4

[M]+

462.11075

214.9

[M]-

462.11185

214.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

497230-19-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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